Ojima:KO009069p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
M082+ Score:33.31 M081+ Score:13.39 G051+ Score:13.39 G046+ Score:13.39 G021+ Score:13.39 G065+ Score:13.39 A191+ Score:13.39 A122+ Score:13.39 R016+ Score:8.46 A031+ Score:8.46	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。

Links

Page list for each fragment

Pages Related to Peak C9H18NO7:   M082+   Pages Related to Peak C9H16NO6:   M082+   Pages Related to Peak C9H14NO5:   M082+   Pages Related to Peak C6H10NO3:   A031+  A065+  A110+  A122+  A191+  G065+  M067+  R016+  G021+  G046+  G051+  M081+  M082+   Pages Related to Peak C6H8NO2:   A122+  A191+  E011+  G065+  E008+  G021+  G046+  G051+  M081+  M082+   Pages Related to Peak C4H6NO:   A031+  A122+  A191+  E005+  F034+  G005+  G018+  G019+  G043+  G062+  G065+  G117+  L016+  M114+  O008+  P092+  R016+  T010+  T014+  T015+  T020+  D038+  D061+  D183+  E056+  G006+  G021+  G046+  G051+  M025+  M081+  M082+  S044+  A204+

Annotations

Precursor-Product Relationship

About the PP Table (行列表示について)
The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds).	行列は列方向に見ます。最上段太字の前駆イオン(precursor ion)が直下の生成イオン群(product ions)になると解釈します。 行列要素に書かれている組成式はニュートラルロスです。黒は前駆イオンから生成しえない関係、オレンジは分子構造における共有結合1本の切断（開環の場合は2本）で生じる関係を意味します。

KO009069p	252 C9H18NO7	234 C9H16NO6	216 C9H14NO5	144 C6H10NO3	126 C6H8NO2	84 C4H6NO
252 C9H18NO7
234 C9H16NO6	H2O
216 C9H14NO5	H4O2	H2O
144 C6H10NO3	C3H8O4	C3H6O3	C3H4O2
126 C6H8NO2	C3H10O5	C3H8O4	C3H6O3	H2O
84 C4H6NO	C5H12O6	C5H10O5	C5H8O4	C2H4O2	C2H2O

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